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	hartrees
Energy at 0K	-516.257802
Energy at 298.15K
HF Energy	-516.257802
Nuclear repulsion energy	48.417971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3693	3318	5.38	104.79	0.04	0.08
2	A₁	2744	2466	1035.31	401.69	0.38	0.55
3	A₁	1274	1144	199.93	0.84	0.01	0.01
4	A₁	184	165	9.77	0.54	0.40	0.57
5	E	3826	3438	10.40	62.62	0.75	0.86
5	E	3826	3438	10.40	62.62	0.75	0.86
6	E	1841	1654	28.88	10.55	0.75	0.86
6	E	1841	1654	28.88	10.55	0.75	0.86
7	E	700	629	110.90	1.80	0.75	0.86
7	E	700	629	110.90	1.80	0.75	0.86
8	E	244	219	22.61	5.36	0.75	0.86
8	E	244	219	22.61	5.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.984
Cl2	0.000	0.000	1.235
H3	0.000	0.934	-2.351
H4	0.809	-0.467	-2.351
H5	-0.809	-0.467	-2.351
H6	0.000	0.000	-0.059

	N1	Cl2	H3	H4	H5	H6
N1		3.2198	1.0031	1.0031	1.0031	1.9258
Cl2	3.2198		3.7056	3.7056	3.7056	1.2940
H3	1.0031	3.7056		1.6174	1.6174	2.4749
H4	1.0031	3.7056	1.6174		1.6174	2.4749
H5	1.0031	3.7056	1.6174	1.6174		2.4749
H6	1.9258	1.2940	2.4749	2.4749	2.4749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.460
H3	N1	H5	107.460	H3	N1	H6	111.415
H4	N1	H5	107.460	H4	N1	H6	111.415
H5	N1	H6	111.415

All results from a given calculation for NH₄Cl (Ammonium chloride)

using model chemistry: HF/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-1.031
2	Cl	-0.342
3	H	0.360
4	H	0.360
5	H	0.360
6	H	0.293

	x	y	z	Total
	0.000	0.000	-4.700	4.700
CHELPG
AIM
ESP

<r²>	84.155
(<r²>)^1/2	9.174

All results from a given calculation for NH4Cl (Ammonium chloride)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for NH₄Cl (Ammonium chloride)